145-41-5
Product Name:
Sodium dehydrocholate
Formula:
C24H33NaO5
Synonyms:
3α,12α-Dihydroxy-5β-cholanic acid sodium salt;7-Deoxycholic acid sodium salt;Desoxycholic acid sodium salt
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 192.1 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 424.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 424.22256843 g/mol |
| Monoisotopic Mass | 424.22256843 g/mol |
| Topological Polar Surface Area | 91.3 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 763 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
A semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid.